2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-4-nitrophenolate
Formula:C14H16N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-4-nitrophenolate |
| MolecularFormula | C14H16N3O4 |
| Smiles | [O-]c(cc1)c(/C=N\NC(C2CCCCC2)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C14H17N3O4/c18-13-7-6-12(17(20)21)8-11(13)9-15-16-14(19)10-4-2-1-3-5-10/h6-10,18H,1-5H2,(H,16,19)/p-1 |
| InChIK | YWFZWWKDPLNMRX-UHFFFAOYSA-M |
| TotalMolweight | 290.298 |
| Molweight | 290.298 |
| MonoisotopicMass | 290.114082 |
| CLogP | 0.2566 |
| CLogS | -4.041 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 226.23 |
| Relative PSA | 0.35676 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | -4.9744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-4-nitrophenolate | 2 - 2-[(Z)-(cyclohexanecarbonylhydrazinylidene)methyl]-4-nitrophenolate
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